Spektraris NMR
SCHEMBL1050549
Common Name: SCHEMBL1050549
Synonyms: SCHEMBL1050549
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21+,22+,23-,24-,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=IACGAAXNDKIGSX-FMGQVEPTSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mahato, S. B., Pal, B.C. J Chem Soc, Perkin Trans 1 (1987) 0, 629-34
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.4 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 76.5 |
| 4 (C) | 41.9 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.6 |
| 8 (C) | 40 |
| 9 (CH) | 47.1 |
| 10 (C) | 37 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 122.6 |
| 13 (C) | 143.2 |
| 14 (C) | 43.8 |
| 15 (CH2) | 36.3 |
| 16 (CH) | 67.5 |
| 17 (C) | 40.5 |
| 18 (CH) | 44.6 |
| 19 (CH2) | 47 |
| 20 (C) | 30.9 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 26 |
| 23 (CH2) | 71.3 |
| 24 (CH3) | 11.4 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 26.8 |
| 28 (CH2) | 70 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 24.1 |
